PhD candidate in quantum Monte Carlo methods

About the FSTM

The University of Luxembourg is an international research university with a distinctly multilingual and interdisciplinary character.

The Faculty of Science, Technology and Medicine (FSTM) at the University of Luxembourg contributes multidisciplinary expertise in the fields of Mathematics, Physics, Engineering, Computer Science, Life Sciences and Medicine.
Through its dual mission of teaching and research, the FSTM seeks to generate and disseminate knowledge and train new generations of responsible citizens in order to better understand, explain and advance society and environment we live in.

Your role

The Theoretical Chemical Physics (TCP) group led by Prof. Alexandre Tkatchenko aims at the development of novel and efficient methodologies to address fundamental and challenging phenomena at the intersection of physics, chemistry, and biology.

This is achieved by combining first-principles quantum methods and coarse-grained statistical approaches, and through the development of novel mathematical and computational techniques.

Our group includes physicists, chemists, mathematicians, and computer scientists, and maintains collaborations with many leading researchers across the world.

At the TCP group, we are currently looking for a highly motivated Doctoral researcher (PhD candidate) in Physics to contribute to the quantum Chemistry research with a particular focus on the development of quantum Monte Carlo (QMC) methods for the study of van der Waals (vdW) interactions in molecular systems.

The successful candidate will be expected to conduct research under the guidance of Prof. Tkatchenko and to contribute to the department's many activities, including seminars, teaching, outreach, and various other research-related events.

During the research activity, the candidate will contribute to the QMeCha QMC code development, and his project will follow three possible topics:

• Structural and dynamical properties of van der Waals systems
• Wavefunction development and electronic correlations
• Embedding approach to extend the accuracy of QMC to large systems with thousands of atoms

depending on the research interests and expertise of the candidate.

Your profile

We are looking for passionate candidates with:

• Master degree (or equivalent degree) in Chemistry, Physics, Material Science or Computational Science
• Knowledge of QMC methods or quantum Chemistry methods, such as Hartree-Fock, Configuration Interaction, Coupled Cluster, Perturbation Theories, or density functional theory (DFT), applied to molecular or periodic systems. Alternatively, also experience in Classical Force-Fields and Molecular Dynamics will be considered positively
• Experience in programming with C and/or Fortran (knowledge of MPI and/or OpenMP protocols would be a plus)
• Experience in bash and/or Python scripting
• Good command of written and spoken English

We offer

• Multilingual and international character. Modern institution with a personal atmosphere. Staff coming from 90 countries. Member of the "University of the Greater Region" (UniGR)
• A modern and dynamic university. High-quality equipment. Close ties to the business world and to the Luxembourg labour market. A unique urban site with excellent infrastructure
• A partner for society and industry. Cooperation with European institutions, innovative companies, the Financial Centre and with numerous non-academic partners such as ministries, local governments, associations, NGOs …

• A dynamic and well-equipped research environment within the Department of Physics and Materials Science
• Intensive training in scientific and transferable skills, participation in schools, conferences, and workshops
• A social, collaborative, and helpful environment for researchers with different backgrounds and skills

How to apply

Applications should include:

• Motivation letter including answers to the following questions: What are your research interests and why? Why do you want to obtain a Ph.D. degree?; Why would you be interested in the TCP group? What do you think are the soft and/or hard skills with which you will contribute to the group?
• Curriculum Vitae (Including a list of publications and conference presentations if any)
• Digital copies of diplomas and complete course grade transcripts (B.Sc. and M.Sc.)
• PDF version of your master thesis (file should be no larger than 20MB; compress images if necessary)

Early application is highly encouraged, as the applications will be processed upon reception. Please apply ONLINE formally through the HR system. Applications by Email will not be considered.

All qualified individuals are encouraged to apply. In line with our values, the University of Luxembourg promotes an inclusive culture. We encourage applications from individuals of all backgrounds and are dedicated to upholding equality and respect for our employees and students.

General information:

• Contract Type: Fixed Term Contract 36 Month (extendable up to 48 months if required)
• Work Hours: Full Time 40.0 Hours per Week
• Location: Limpertsberg and Belval Campuses
• Internal Title: Doctoral Researcher
• Employee and student status
• Job Reference: UOL06755

The yearly gross salary for every PhD at the UL is EUR 40952 (full time).